3-(3,6-dimethylpyrazin-2-yl)-1-azabicyclo[2.2.2]octane

C13H19N3 — CID 15750158

IUPAC3-(3,6-dimethylpyrazin-2-yl)-1-azabicyclo[2.2.2]octane
SMILESCc1cnc(C)c(C2CN3CCC2CC3)n1
InChIInChI=1S/C13H19N3/c1-9-7-14-10(2)13(15-9)12-8-16-5-3-11(12)4-6-16/h7,11-12H,3-6,8H2,1-2H3
InChIKeyHUYPKLAJCAWRKF-UHFFFAOYSA-N
MW217.32 g/mol
LogP1.90
Rot. Bonds1

About 3-(3,6-dimethylpyrazin-2-yl)-1-azabicyclo[2.2.2]octane

3-(3,6-dimethylpyrazin-2-yl)-1-azabicyclo[2.2.2]octane (PubChem CID 15750158) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 3-(3,6-dimethylpyrazin-2-yl)-1-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name3-(3,6-dimethylpyrazin-2-yl)-1-azabicyclo[2.2.2]octane
PubChem CID15750158
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name3-(3,6-dimethylpyrazin-2-yl)-1-azabicyclo[2.2.2]octane
SMILESCc1cnc(C)c(C2CN3CCC2CC3)n1
InChIInChI=1S/C13H19N3/c1-9-7-14-10(2)13(15-9)12-8-16-5-3-11(12)4-6-16/h7,11-12H,3-6,8H2,1-2H3
InChIKeyHUYPKLAJCAWRKF-UHFFFAOYSA-N
XLogP1.90
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,6-dimethylpyrazin-2-yl)-1-azabicyclo[2.2.2]octane?
The IUPAC name of 3-(3,6-dimethylpyrazin-2-yl)-1-azabicyclo[2.2.2]octane (CID 15750158) is 3-(3,6-dimethylpyrazin-2-yl)-1-azabicyclo[2.2.2]octane.
What is the SMILES notation for 3-(3,6-dimethylpyrazin-2-yl)-1-azabicyclo[2.2.2]octane?
The canonical SMILES for 3-(3,6-dimethylpyrazin-2-yl)-1-azabicyclo[2.2.2]octane is Cc1cnc(C)c(C2CN3CCC2CC3)n1.
What is the InChIKey of 3-(3,6-dimethylpyrazin-2-yl)-1-azabicyclo[2.2.2]octane?
The InChIKey is HUYPKLAJCAWRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-9-7-14-10(2)13(15-9)12-8-16-5-3-11(12)4-6-16/h7,11-12H,3-6,8H2,1-2H3.
What are the key properties of 3-(3,6-dimethylpyrazin-2-yl)-1-azabicyclo[2.2.2]octane?
3-(3,6-dimethylpyrazin-2-yl)-1-azabicyclo[2.2.2]octane has a molecular weight of 217.32 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,6-dimethylpyrazin-2-yl)-1-azabicyclo[2.2.2]octane is sourced from PubChem (CID 15750158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).